short communications
A simplified approach for calculating the equivalent isotropic displacement parameter is presented and the transformation property of the tensor representation U to point-group operations is analysed. Complete tables have been compiled for the restrictions imposed upon the tensor owing to the site symmetry associated with all special positions as listed in Hahn [(2011), International Tables for Crystallography, Vol. A, Space-group Symmetry, 5th revised ed. Chichester: John Wiley and Sons, Ltd].
Keywords: anisotropic displacement tensor; transformations among tensor representations; site-symmetry restrictions; equivalent isotropic displacement parameter.
Supporting information
Portable Document Format (PDF) file https://doi.org/10.1107/S2053273315008372/kx5044sup1.pdf |